SCHEMBL1241175

SCHEMBL1241175

COCC1CCCN1Cc1ccc(Br)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.67
HDAC6 Q9UBN7 2/20 0.67
HDAC1 Q13547 1/20 0.67
VEGFA P15692 1/20 0.49
EGLN1 Q9GZT9 1/20 0.49
MAPK1 P28482 1/20 0.45
SPHK1 Q9NYA1 4/20 0.44
SPHK2 Q9NRA0 4/20 0.44
ALDH1A1 P00352 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MBTPS1 Q14703 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
FAAH O00519 2/20 0.42
TRPV6 Q9H1D0 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1241999 1.00 HDAC8 (0.67) HDAC8HDAC6HDAC1VEGFAEGLN1
SCHEMBL1241170 1.00 HDAC8 (0.67) HDAC8HDAC6HDAC1VEGFAEGLN1
SCHEMBL13479179 0.87 HDAC8 (0.64) HDAC8HDAC6HDAC1VEGFAEGLN1
SCHEMBL13343697 0.86 HDAC8 (0.51) HDAC8HDAC6HDAC1MAPK1SPHK1
SCHEMBL3563591 0.86 HDAC8 (0.51) HDAC8HDAC6HDAC1MAPK1SPHK1
SCHEMBL3569375 0.85 HDAC8 (0.63) HDAC8HDAC6HDAC1VEGFAEGLN1
SCHEMBL3565573 0.85 HDAC8 (0.63) HDAC8HDAC6HDAC1VEGFAEGLN1
SCHEMBL12642706 0.85 HDAC8 (0.67) HDAC8HDAC6HDAC1VEGFAEGLN1
SCHEMBL791665 0.85 VEGFA (0.63) HDAC8HDAC6HDAC1VEGFAEGLN1
SCHEMBL18801723 0.85 VEGFA (0.63) HDAC8HDAC6HDAC1VEGFAEGLN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7879808-B2 potent activity against resistant pneumococci; for treating domestic fowl MEIJI SEIKA KAISHA, LTD. (JP) 2011-02-01 US disclosed
US-20100210570-A1 LINCOMYCIN DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2010-08-19 US disclosed
EP-2151447-A1 LINCOMYCIN DERIVATIVES AND ANTIBACTERIAL AGENTS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Meiji Seika Kaisha Ltd. (JP) 2010-02-10 EP disclosed
EP-1943231-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-16 EP disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
WO-2007048802-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 HDAC8 3408/4885HDAC6 2174/4885HDAC1 1435/4885
US-20100210570-A1 LINCOMYCIN DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT LAS1L, LCLAT1, LYPLA1 HDAC8 230/4885HDAC6 161/4885HDAC1 62/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.